2-[(4Z)-4-[(4-chlorophenyl)methylidene]-5-oxo-1-phenylimidazol-2-yl]sulfanyl-N-(1H-indol-6-yl)acetamide

C26H19ClN4O2S — CID 19058775

About 2-[(4Z)-4-[(4-chlorophenyl)methylidene]-5-oxo-1-phenylimidazol-2-yl]sulfanyl-N-(1H-indol-6-yl)acetamide

2-[(4Z)-4-[(4-chlorophenyl)methylidene]-5-oxo-1-phenylimidazol-2-yl]sulfanyl-N-(1H-indol-6-yl)acetamide (PubChem CID 19058775) has the molecular formula C26H19ClN4O2S and a molecular weight of 486.98 g/mol. Its IUPAC name is 2-[(4Z)-4-[(4-chlorophenyl)methylidene]-5-oxo-1-phenylimidazol-2-yl]sulfanyl-N-(1H-indol-6-yl)acetamide.

Molecular Properties

• Compound Name: 2-[(4Z)-4-[(4-chlorophenyl)methylidene]-5-oxo-1-phenylimidazol-2-yl]sulfanyl-N-(1H-indol-6-yl)acetamide
• PubChem CID: 19058775
• Molecular Formula: C26H19ClN4O2S
• Molecular Weight: 486.98 g/mol
• Exact Mass: 486.09
• IUPAC Name: 2-[(4Z)-4-[(4-chlorophenyl)methylidene]-5-oxo-1-phenylimidazol-2-yl]sulfanyl-N-(1H-indol-6-yl)acetamide
• SMILES: O=C(CSC1=N/C(=C\c2ccc(Cl)cc2)C(=O)N1c1ccccc1)Nc1ccc2cc[nH]c2c1
• InChI: InChI=1S/C26H19ClN4O2S/c27-19-9-6-17(7-10-19)14-23-25(33)31(21-4-2-1-3-5-21)26(30-23)34-16-24(32)29-20-11-8-18-12-13-28-22(18)15-20/h1-15,28H,16H2,(H,29,32)/b23-14-
• InChIKey: GTBQKSMFFKNZMS-UCQKPKSFSA-N
• XLogP: 5.94
• TPSA: 77.56 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	486.98
LogP ≤ 5	5.94
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[(4Z)-4-[(4-chlorophenyl)methylidene]-5-oxo-1-phenylimidazol-2-yl]sulfanyl-N-(1H-indol-6-yl)acetamide?

The IUPAC name of 2-[(4Z)-4-[(4-chlorophenyl)methylidene]-5-oxo-1-phenylimidazol-2-yl]sulfanyl-N-(1H-indol-6-yl)acetamide (CID 19058775) is 2-[(4Z)-4-[(4-chlorophenyl)methylidene]-5-oxo-1-phenylimidazol-2-yl]sulfanyl-N-(1H-indol-6-yl)acetamide.

What is the SMILES notation for 2-[(4Z)-4-[(4-chlorophenyl)methylidene]-5-oxo-1-phenylimidazol-2-yl]sulfanyl-N-(1H-indol-6-yl)acetamide?

The canonical SMILES for 2-[(4Z)-4-[(4-chlorophenyl)methylidene]-5-oxo-1-phenylimidazol-2-yl]sulfanyl-N-(1H-indol-6-yl)acetamide is O=C(CSC1=N/C(=C\c2ccc(Cl)cc2)C(=O)N1c1ccccc1)Nc1ccc2cc[nH]c2c1.

What is the InChIKey of 2-[(4Z)-4-[(4-chlorophenyl)methylidene]-5-oxo-1-phenylimidazol-2-yl]sulfanyl-N-(1H-indol-6-yl)acetamide?

The InChIKey is GTBQKSMFFKNZMS-UCQKPKSFSA-N. The full InChI is InChI=1S/C26H19ClN4O2S/c27-19-9-6-17(7-10-19)14-23-25(33)31(21-4-2-1-3-5-21)26(30-23)34-16-24(32)29-20-11-8-18-12-13-28-22(18)15-20/h1-15,28H,16H2,(H,29,32)/b23-14-.

What are the key properties of 2-[(4Z)-4-[(4-chlorophenyl)methylidene]-5-oxo-1-phenylimidazol-2-yl]sulfanyl-N-(1H-indol-6-yl)acetamide?

2-[(4Z)-4-[(4-chlorophenyl)methylidene]-5-oxo-1-phenylimidazol-2-yl]sulfanyl-N-(1H-indol-6-yl)acetamide has a molecular weight of 486.98 g/mol, XLogP of 5.94, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(4Z)-4-[(4-chlorophenyl)methylidene]-5-oxo-1-phenylimidazol-2-yl]sulfanyl-N-(1H-indol-6-yl)acetamide is sourced from PubChem (CID 19058775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).